Bioactive Compound Details

BioIDbio310
NameBRUCEAJAVANONE C
ChEMBL IDCHEMBL503198
Molecular FormulaC38H56O9
Molecular Weight656.86
Molecular Weight (Monoisotopic)656.3924
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsBruceajavanone C
SmilesC/C=C(\C)C(=O)O[C@@H]1C[C@]2(C)C(=CC[C@H]2[C@@H]2C[C@@H]([C@@H]3OC3(C)C)O[C@H]2OC)[C@]2(C)[C@H](OC(C)=O)C[C@H]3C(C)(C)C(=O)C[C@H](O)[C@]3(C)[C@@H]12
InchiInChI=1S/C38H56O9/c1-12-19(2)32(42)45-24-18-36(8)22(21-15-23(46-33(21)43-11)31-35(6,7)47-31)13-14-25(36)38(10)29(44-20(3)39)16-26-34(4,5)27(40)17-28(41)37(26,9)30(24)38/h12,14,21-24,26,28-31,33,41H,13,15-18H2,1-11H3/b19-12+/t21-,22-,23-,24+,26-,28-,29+,30+,31-,33+,36-,37+,38+/m0/s1
Inchi KeyOGYGNDBOJQVAPL-VVONOSKQSA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities3.0
Np Likeness Score3.42
Records Key['4']
Records Name['Bruceajavanone C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure